General Information of the Compound
| Compound ID |
CP0861285
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| Compound Name |
N4-tert-Butyloxycytidine 5'-Diphosphate triethylammonium Salt
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| Structure |
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| Formula |
C19H38N4O12P2
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| Molecular Weight |
576.477
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| Canonical SMILES |
CC(C)(C)O/N=c1/ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]2O)c(=O)[nH]1.CCN(CC)CC
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| InChI |
InChI=1S/C13H23N3O12P2.C6H15N/c1-13(2,3)27-15-8-4-5-16(12(19)14-8)11-10(18)9(17)7(26-11)6-25-30(23,24)28-29(20,21)22;1-4-7(5-2)6-3/h4-5,7,9-11,17-18H,6H2,1-3H3,(H,23,24)(H,14,15,19)(H2,20,21,22);4-6H2,1-3H3/t7-,9-,10-,11-;/m1./s1
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| InChIKey |
XLYQWPVJIOUUCF-VYFIMUGFSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT04714, P2Y purinoceptor 2
Protein ID: PT05219, P2Y purinoceptor 4
Protein ID: PT02796, P2Y purinoceptor 6